CS-0112187
3-Oxo Atorvastatin
Manufacturer: ChemScene
CAS Number: 887196-30-7
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Purity
98%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₃₃H₃₃FN₂O₅
Molecular Weight
556.62
Synonyms
None
SMILES
O=C(C1=C(C(C)C)N(CC[C@@H](O)CC(CC(O)=O)=O)C(C2=CC=C(F)C=C2)=C1C3=CC=CC=C3)NC4=CC=CC=C4
Tpsa
108.63
Logp
6.5218
H Acceptors
5
H Donors
3
Rotatable Bonds
12
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 887196-30-7 | 3-Oxo Atorvastatin | A2B Chem | -- |
SAFETY INFORMATION
ghsPictogramUrl
https://dev-s3.chemscene.com/web-image/physicalization/irritant.svg
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₃H₃₃FN₂O₅
Molecular Weight: 556.62
Synonyms: None
SMILES: O=C(C1=C(C(C)C)N(CC[C@@H](O)CC(CC(O)=O)=O)C(C2=CC=C(F)C=C2)=C1C3=CC=CC=C3)NC4=CC=CC=C4
Tpsa: 108.63
Logp: 6.5218
H Acceptors: 5
H Donors: 3
Rotatable Bonds: 12
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₃H₃₃FN₂O₅
Molecular Weight:
556.62
Synonyms:
None
SMILES:
O=C(C1=C(C(C)C)N(CC[C@@H](O)CC(CC(O)=O)=O)C(C2=CC=C(F)C=C2)=C1C3=CC=CC=C3)NC4=CC=CC=C4
Tpsa:
108.63
Logp:
6.5218
H Acceptors:
5
H Donors:
3
Rotatable Bonds:
12
Purity: 98%
MDL No: MFCD03423594
Storage: 4°C, sealed storage, away from moisture
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₅H₂₈ClNO
Molecular Weight: 393.95
Synonyms: None
SMILES: CC/C(C1=CC=CC=C1)=C(C2=CC=C(OCCNC)C=C2)\C3=CC=CC=C3.[H]Cl
Tpsa: 21.26
Logp: 6.0757
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 8
Purity:
98%
MDL No:
MFCD03423594
Storage:
4°C, sealed storage, away from moisture
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₅H₂₈ClNO
Molecular Weight:
393.95
Synonyms:
None
SMILES:
CC/C(C1=CC=CC=C1)=C(C2=CC=C(OCCNC)C=C2)\C3=CC=CC=C3.[H]Cl
Tpsa:
21.26
Logp:
6.0757
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
8
Purity: 98%
MDL No: MFCD18383546
Storage: RT, stored under nitrogen
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₆BClO₃
Molecular Weight: 172.37
Synonyms: 4-Chloro-2-hydroxyphenylboronic acid
SMILES: OB(O)C1=CC=C(C=C1O)Cl
Tpsa: 60.69
Logp: -0.2746
H Acceptors: 3
H Donors: 3
Rotatable Bonds: 1
Purity:
98%
MDL No:
MFCD18383546
Storage:
RT, stored under nitrogen
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆H₆BClO₃
Molecular Weight:
172.37
Synonyms:
4-Chloro-2-hydroxyphenylboronic acid
SMILES:
OB(O)C1=CC=C(C=C1O)Cl
Tpsa:
60.69
Logp:
-0.2746
H Acceptors:
3
H Donors:
3
Rotatable Bonds:
1
Purity: 97%
MDL No: MFCD16251110
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₇BrO₂
Molecular Weight: 239.07
Synonyms: Methyl 4-(bromoethynyl)
SMILES: O=C(OC)C1=CC=C(C#CBr)C=C1
Tpsa: 26.3
Logp: 2.1771
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 1
Purity:
97%
MDL No:
MFCD16251110
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₇BrO₂
Molecular Weight:
239.07
Synonyms:
Methyl 4-(bromoethynyl)
SMILES:
O=C(OC)C1=CC=C(C#CBr)C=C1
Tpsa:
26.3
Logp:
2.1771
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
1